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Substance Name: 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid
RN: 128924-91-4
InChIKey: YKFLNSYWPDARTR-UHFFFAOYSA-N

Molecular Formula

  • C24-H35-N5-O10

Molecular Weight

  • 553.565
 
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Names and Synonyms

Name of Substance

  • 12-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid

Synonyms

  • 12-((4-Nitrophenyl)methyl)-1,4,7,10-tetraazacyclotridecane-1,4,7,10-tetraacetic acid
  • 12-Nbtcta

Systematic Name

  • 1,4,7,10-Tetraazacyclotridecane-1,4,7,10-tetraacetic acid, 12-((4-nitrophenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 128924-91-4

System Generated Number

  • 0128924914

Structure Descriptors

InChI

1S/C24H35N5O10/c30-21(31)14-25-5-6-26(15-22(32)33)8-10-28(17-24(36)37)13-19(12-27(9-7-25)16-23(34)35)11-18-1-3-20(4-2-18)29(38)39/h1-4,19H,5-17H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)

InChIKey

YKFLNSYWPDARTR-UHFFFAOYSA-N

Smiles

C1[N@@](CC(C[N@@](CC[N@@](CC[N@@](C1)CC(=O)O)CC(=O)O)CC(=O)O)Cc1ccc(cc1)[N+](=O)[O-])CC(=O)O